9R3F

CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum COMPLEXED WITH L-LYSINE AND INHIBITOR DDD01932549

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-22
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5417
Spacegroup name	P 2 21 21
Unit cell lengths	73.152, 116.852, 143.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.924 - 2.300
Rwork	0.214
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.673
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.924	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.174	0.414
Rpim	0.066	0.208
Number of reflections	54785	4335
<I/σ(I)>	10.1	3.7
Completeness [%]	99.1	96.9
Redundancy	13.5	9.1
CC(1/2)	0.985	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	Protein: 30 mg/ml in 25 mM HEPES, 0.5 M NaCl, 5 % glycerol, 2 mM TCEP, pH 7, 5 mM lysine Reservoir: 25% PEG 3350, 0.2 M Li sulfate, 0.1 M tris pH 7.8